Input 06-octopus_basics-periodic_systems.03-bandstructure.inp
Commits >
Commit 4e4258e65e606bf002e3af34a10a78b31d6cc70d >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| k-point 1 - coord. | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| k-point 1 - kx | 5.000000000000000e-01 | 5.000000000000000e-01 | 2.500000000000000e+00 | 0.000000000000000e+00 | PASS |
| k-point 1 - ky | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| k-point 1 - kz | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| k-point 1 - band 1 | -1.999186300000000e-01 | -1.999186700000000e-01 | 1.000000000000000e-07 | 3.999999997894577e-08 | PASS |
| k-point 1 - band 2 | -1.047228700000000e-01 | -1.047228900000000e-01 | 5.240000000000000e-08 | 2.000000000335067e-08 | PASS |
| k-point 1 - band 3 | 1.104703600000000e-01 | 1.104703200000000e-01 | 5.520000000000000e-08 | 4.000000000670134e-08 | PASS |
| k-point 1 - band 4 | 1.104703600000000e-01 | 1.104703200000000e-01 | 5.520000000000000e-08 | 4.000000000670134e-08 | PASS |
| k-point 1 - band 5 | 2.130588100000000e-01 | 2.130587800000000e-01 | 1.070000000000000e-07 | 2.999999998420932e-08 | PASS |
| k-point 1 - band 6 | 2.768619800000000e-01 | 2.768619100000000e-01 | 1.380000000000000e-07 | 7.000000001866624e-08 | PASS |
| k-point 1 - band 7 | 2.768619800000000e-01 | 2.768619600000000e-01 | 1.380000000000000e-07 | 1.999999998947288e-08 | PASS |
| k-point 1 - band 8 | 4.350702400000000e-01 | 4.350701700000000e-01 | 2.180000000000000e-07 | 7.000000001866624e-08 | PASS |
| k-point 1 - band 9 | 5.443235600000000e-01 | 5.443235400000001e-01 | 2.720000000000000e-07 | 1.999999998947288e-08 | PASS |
| k-point 36 - coord. | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-01 | 0.000000000000000e+00 | PASS |
| k-point 36 - kx | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-01 | 0.000000000000000e+00 | PASS |
| k-point 36 - ky | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-01 | 0.000000000000000e+00 | PASS |
| k-point 36 - kz | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-01 | 0.000000000000000e+00 | PASS |
| k-point 36 - band 1 | -2.881596000000000e-01 | -2.881596300000000e-01 | 1.440000000000000e-07 | 2.999999998420932e-08 | PASS |
| k-point 36 - band 2 | 1.548343100000000e-01 | 1.548342700000000e-01 | 7.740000000000000e-08 | 4.000000000670134e-08 | PASS |
| k-point 36 - band 3 | 1.548343100000000e-01 | 1.548342700000000e-01 | 7.740000000000000e-08 | 4.000000000670134e-08 | PASS |
| k-point 36 - band 4 | 1.548343100000000e-01 | 1.548342700000000e-01 | 7.740000000000000e-08 | 4.000000000670134e-08 | PASS |
| k-point 36 - band 5 | 2.493985000000000e-01 | 2.493984100000000e-01 | 1.250000000000000e-07 | 9.000000000813912e-08 | PASS |
| k-point 36 - band 6 | 2.493985000000000e-01 | 2.493984100000000e-01 | 1.250000000000000e-07 | 9.000000000813912e-08 | PASS |
| k-point 36 - band 7 | 2.493985000000000e-01 | 2.493984100000000e-01 | 1.250000000000000e-07 | 9.000000000813912e-08 | PASS |
| k-point 36 - band 8 | 2.856867200000000e-01 | 2.856866900000000e-01 | 1.430000000000000e-07 | 2.999999998420932e-08 | PASS |
| k-point 36 - band 9 | 4.402619700000000e-01 | 4.402620700000000e-01 | 2.200000000000000e-07 | -1.000000000028756e-07 | PASS |